SCHEMBL3078103

SCHEMBL3078103

O=C1Nc2c(ccc(F)c2F)C1(O)C1CCCCCC1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 6/20 0.40
POLB P06746 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C19 P33261 1/20 0.34
EPHX2 P34913 3/20 0.33
IDO1 P14902 1/20 0.31
HTT P42858 2/20 0.31
APOBEC3A P31941 1/20 0.31
HSD17B10 Q99714 1/20 0.31
APOBEC3G Q9HC16 1/20 0.31
LMNA P02545 1/20 0.31
CHRM5 P08912 1/20 0.31
HDAC4 P56524 1/20 0.30
GAA P10253 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
BRD2 P25440 1/20 0.30
BRD3 Q15059 1/20 0.30
BRDT Q58F21 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3092384 1.00 BRD4 (0.40) BRD4POLBCYP3A4CYP2C19EPHX2
SCHEMBL31003804 1.00 BRD4 (0.40) BRD4POLBCYP3A4CYP2C19EPHX2
SCHEMBL3076715 1.00 BRD4 (0.40) BRD4POLBCYP3A4CYP2C19EPHX2
SCHEMBL3089780 0.99 BRD4 (0.39) BRD4POLBCYP3A4CYP2C19EPHX2
SCHEMBL31003800 0.99 BRD4 (0.39) BRD4POLBCYP3A4CYP2C19EPHX2
SCHEMBL3082410 0.86 BRD4 (0.43) BRD4POLBCYP3A4CYP2C19IDO1
SCHEMBL3086066 0.86 BRD4 (0.43) BRD4POLBCYP3A4CYP2C19IDO1
SCHEMBL3090110 0.86 BRD4 (0.43) BRD4POLBCYP3A4CYP2C19IDO1
SCHEMBL3085338 0.86 BRD4 (0.43) BRD4POLBCYP3A4CYP2C19IDO1
SCHEMBL3093485 0.84 BRD4 (0.42) BRD4POLBCYP3A4CYP2C19IDO1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100227863-A1 SUBSTITUTED 3-(4-HYDROXYPHENYL)-INDOLIN-2-ONE COMPOUNDS TOPOTARGET A/S (DK) 2010-09-09 US disclosed
US-20100227863-A1 SUBSTITUTED 3-(4-HYDROXYPHENYL)-INDOLIN-2-ONE COMPOUNDS TOPOTARGET A/S (DK) 2010-09-09 US disclosed
US-20100227863-A1 SUBSTITUTED 3-(4-HYDROXYPHENYL)-INDOLIN-2-ONE COMPOUNDS TOPOTARGET A/S (DK) 2010-09-09 US disclosed
EP-2139856-A1 SUBSTITUTED 3-(4-HYDROXYPHENYL)-INDOLIN-2-ONE-COMPOUNDS Topotarget A/S (DK) 2010-01-06 EP disclosed
WO-2008129075-A1 SUBSTITUTED 3-(4-HYDROXYPHENYL)-INDOLIN-2-ONE-COMPOUNDS TOPOTARGET A/S (DK) 2008-10-30 WO disclosed
WO-2008129075-A1 SUBSTITUTED 3-(4-HYDROXYPHENYL)-INDOLIN-2-ONE-COMPOUNDS TOPOTARGET A/S (DK) 2008-10-30 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100227863-A1 SUBSTITUTED 3-(4-HYDROXYPHENYL)-INDOLIN-2-ONE COMPOUNDS TPH2, TPH1, HTR2C BRD4 616/4885POLB 2212/4885CYP3A4 247/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.